3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid

C17H17F2N3O3 — CID 166299782

IUPAC3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)n[nH]1
InChIInChI=1S/C17H17F2N3O3/c18-12-3-1-2-11(15(12)19)8-10-4-6-22(7-5-10)16(23)13-9-14(17(24)25)21-20-13/h1-3,9-10H,4-8H2,(H,20,21)(H,24,25)
InChIKeyWHIFICWFLGDZKP-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.48
Rot. Bonds4

About 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid

3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 166299782) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid
PubChem CID166299782
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)n[nH]1
InChIInChI=1S/C17H17F2N3O3/c18-12-3-1-2-11(15(12)19)8-10-4-6-22(7-5-10)16(23)13-9-14(17(24)25)21-20-13/h1-3,9-10H,4-8H2,(H,20,21)(H,24,25)
InChIKeyWHIFICWFLGDZKP-UHFFFAOYSA-N
XLogP2.48
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,3-difluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624686
4-[[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021856
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
3-(3-methyl-4-phenylpiperidine-1-carbonyl)-1H-pyrazole-5-carboxylic acid
CID 154846754
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
1-[5-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 26396263
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
2-[(2,3-difluorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81009415
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone;hydrochloride
CID 119934481
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid (CID 166299782) is 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)n[nH]1.
What is the InChIKey of 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is WHIFICWFLGDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c18-12-3-1-2-11(15(12)19)8-10-4-6-22(7-5-10)16(23)13-9-14(17(24)25)21-20-13/h1-3,9-10H,4-8H2,(H,20,21)(H,24,25).
What are the key properties of 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid?
3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 349.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-difluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 166299782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).